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Compound Detail

CHEMBL3233114

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O=C(COc1ccc2ccccc2c1)NCCc1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233114
Phase Preclinical
Structure Type MOL
InChI Key PMRGLAKPYQPFAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.72
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O3
MW 346.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
24533839 10.1021/jm401709b Cruzipain 2

Data from ChEMBL 36 via Core Engine